input word = C00040325

Metabolite InformationStructural formula
Name Siphonodictyal B3
Formula C22H30O10S2
Mw 518.12803864
CAS RN 934283-22-4
C_ID C00040325 ,
InChIKey VFBOORDDCFDMAN-CQNITWSUNA-N
InChICode InChI=1S/C22H30O10S2/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(31-33(25,26)27)19(24)15(12-23)20(14)32-34(28,29)30/h10-13,18,24H,5-9H2,1-4H3,(H,25,26,27)(H,28,29,30)/b16-10+/t13-,18-,22+/m0/s1
SMILES C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(OS(=O)(=O)O)c(O)c(C=O)c1OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aka coralliphagum Ref.
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OrganismAka coralliphagum
ReferenceGrube,J.Nat.Prod.,70,(2007),504